(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

C24H15ClN2O3S2 — CID 2270544

About (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2270544) has the molecular formula C24H15ClN2O3S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 2270544
• Molecular Formula: C24H15ClN2O3S2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.02
• IUPAC Name: (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S/C(=C\c2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
• InChI: InChI=1S/C24H15ClN2O3S2/c25-16-10-11-20-18(13-16)27(17-8-4-5-9-19(17)31-20)22(28)14-26-23(29)21(32-24(26)30)12-15-6-2-1-3-7-15/h1-13H,14H2/b21-12-
• InChIKey: CDCZTBOEBHFNHN-MTJSOVHGSA-N
• XLogP: 6.21
• TPSA: 57.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione (CID 2270544) is (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.

What is the InChIKey of (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is CDCZTBOEBHFNHN-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H15ClN2O3S2/c25-16-10-11-20-18(13-16)27(17-8-4-5-9-19(17)31-20)22(28)14-26-23(29)21(32-24(26)30)12-15-6-2-1-3-7-15/h1-13H,14H2/b21-12-.

What are the key properties of (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione?

(5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 478.98 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-benzylidene-3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2270544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).